β-D-Glucopyranosiduronic acid, (2β,3β)-28-(β-D-glucopyranosyloxy)-2-hydroxy-28-oxo-30-noroleana-12,20(29)-dien-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-

CAS Registry Number®

139742-11-3
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CAS Name

β-D-Glucopyranosiduronic acid, (2β,3β)-28-(β-D-glucopyranosyloxy)-2-hydroxy-28-oxo-30-noroleana-12,20(29)-dien-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-

Molecular Formula

C47H72O19

Molecular Mass

941.06

Cite this Page

β-D-Glucopyranosiduronic acid, (2β,3β)-28-(β-D-glucopyranosyloxy)-2-hydroxy-28-oxo-30-noroleana-12,20(29)-dien-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=139742-11-3 (retrieved 2024-09-20) (CAS RN: 139742-11-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H72O19/c1-19-10-13-47(42(60)66-40-32(55)30(53)28(51)24(18-48)62-40)15-14-45(6)21(22(47)16-19)8-9-26-44(5)17-23(49)37(43(3,4)25(44)11-12-46(26,45)7)65-41-34(57)35(33(56)36(64-41)38(58)59)63-39-31(54)29(52)27(50)20(2)61-39/h8,20,22-37,39-41,48-57H,1,9-18H2,2-7H3,(H,58,59)

InChIKey

InChIKey=TZCDWUQFJLHHQX-UHFFFAOYSA-N

SMILES

C(OC1OC(CO)C(O)C(O)C1O)(=O)C23C(C=4C(C)(CC2)C5(C)C(CC4)C6(C)C(CC5)C(C)(C)C(OC7C(O)C(OC8C(O)C(O)C(O)C(C)O8)C(O)C(C(O)=O)O7)C(O)C6)CC(=C)CC3

Canonical SMILES

O=C(O)C1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C5C6CC(=C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC54C)C2(C)C)C(O)C(OC8OC(C)C(O)C(O)C8O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (2β,3β)-28-(β-D-glucopyranosyloxy)-2-hydroxy-28-oxo-30-noroleana-12,20(29)-dien-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-
  • 30-Noroleanane, β-D-glucopyranosiduronic acid deriv.
  • Amaranthus saponin III